N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide

C21H16F3NO3S — CID 167649792

IUPACN-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(-c2cccc(F)c2F)cc(C(=O)CNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C21H16F3NO3S/c1-13-10-14(16-8-5-9-18(22)21(16)24)11-17(20(13)23)19(26)12-25-29(27,28)15-6-3-2-4-7-15/h2-11,25H,12H2,1H3
InChIKeyQIXJVHMDOWYRHC-UHFFFAOYSA-N
MW419.42 g/mol
LogP4.24
Rot. Bonds6

About N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide

N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide (PubChem CID 167649792) has the molecular formula C21H16F3NO3S and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide
PubChem CID167649792
Molecular FormulaC21H16F3NO3S
Molecular Weight419.42 g/mol
Exact Mass419.08
IUPAC NameN-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(-c2cccc(F)c2F)cc(C(=O)CNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C21H16F3NO3S/c1-13-10-14(16-8-5-9-18(22)21(16)24)11-17(20(13)23)19(26)12-25-29(27,28)15-6-3-2-4-7-15/h2-11,25H,12H2,1H3
InChIKeyQIXJVHMDOWYRHC-UHFFFAOYSA-N
XLogP4.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
CID 167641467
N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 165054999
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 167569996
N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 157415689
1-(2-chlorophenyl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167577283
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
CID 167570004
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 167570002
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167626658
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 167641470
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167556990
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
CID 167709108
1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
CID 167684328

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide (CID 167649792) is N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide is Cc1cc(-c2cccc(F)c2F)cc(C(=O)CNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is QIXJVHMDOWYRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO3S/c1-13-10-14(16-8-5-9-18(22)21(16)24)11-17(20(13)23)19(26)12-25-29(27,28)15-6-3-2-4-7-15/h2-11,25H,12H2,1H3.
What are the key properties of N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide?
N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 419.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 167649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).